2-benzyl-5-nitroisoquinolin-2-ium
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2-benzyl-5-nitroisoquinolin-2-ium
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CAS No:
52166-52-6
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Formula:
C16H13N2O2+
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Chemical Name:
2-benzyl-5-nitroisoquinolin-2-ium
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Synonyms:
2-benzyl-5-nitroisoquinolin-2-ium;Isoquinolinium, 5-nitro-2-(phenylmethyl)-;2-Benzyl-5-nitroisoquinolinium;SCHEMBL13773330;DTXSID90330666;ZINC1566248;52166-52-6
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CAS No:
Computed Properties
Molecular Weight:265.29
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:265.097702662
Monoisotopic Mass:265.097702662
Topological Polar Surface Area:49.7
Heavy Atom Count:20
Formal Charge:1
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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